[gmx-developers] [gmx-users] Wrong Nose-Hoover integrator
hessb at mpip-mainz.mpg.de
Tue Mar 29 13:58:55 CEST 2005
Apparently I cut some other link before pasting...
Sorry, here is the correct link:
Also I should slightly rephrase my integration scheme statement.
The proper solution is Velocity Verlet, as you would have reversible
Nose Hoover integration using the temperature at the full time-step.
This probably requires an extra communication step in parallel.
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